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canSAR1590686
FEATURES
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NAMES
    SMILES
    CCCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OCC.O=C(O)/C=C\C(=O)O
    InChI
    InChI=1S/C27H37ClN2O3.C4H4O4/c1-4-17-30(24-12-8-9-13-25(24)33-5-2)26(31)21(3)27(32)15-19-29(20-16-27)18-14-22-10-6-7-11-23(22)28;5-3(6)1-2-4(7)8/h6-13,21,32H,4-5,14-20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
    MOLECULAR FORMULA
    C31H41ClN2O7
    CROSS REFERENCES
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    canSAR1590686

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 588.26
    AlogP 4.90
    HBond donors 3
    HBond acceptors 9
    Atoms 82
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1590686.